N-(Phenylmethyl)-beta-alanine ethyl ester

CAS 23583-21-3  ·  C12H17NO2  ·  MW 207.27 g/mol

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3D model N-(Phenylmethyl)-beta-alanine ethyl ester, CAS 23583-21-3, molecular formula C12H17NO2, molar mass 207.27 g/mol
About N-(Phenylmethyl)-beta-alanine ethyl ester

N-(Phenylmethyl)-beta-alanine ethyl ester is a chemical compound registered under number CAS 23583-21-3, with the molecular formula C12H17NO2, and a molar mass of 207.27 g/mol.

The molecule contains 32 atoms connected by 32 chemical bonds. The full systematic IUPAC name of this compound is ethyl 3-(benzylamino)propanoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.5 (positive value, a lipophilic compound), polar surface area PSA = 38.3 Ų, 1 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC12H17NO2
Masa molowa207.27 g/mol
IUPACethyl 3-(benzylamino)propanoate
SMILESCCOC(=O)CCNCC1=CC=CC=C1
InChIKeyHCTJHQFFNDLDPF-UHFFFAOYSA-N
logP (XLogP3)1.5
PSA38.3 Ų
HBD / HBA1 / 3
PubChem CIDCID 90196 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

15 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

1904: 2 articles19041997: 1 articles1999: 1 articles2000: 1 articles2001: 2 articles2003: 1 articles20032005: 2 articles2012: 1 articles2013: 1 articles2018: 1 articles2024: 1 articles2024

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
23583-21-3 · Ethyl N-benzyl-beta-alaninate · RefChem:1091450 · DTXCID20100713 · N-(Phenylmethyl)-beta-alanine ethyl ester · 245-759-0 · Ethyl 3-(benzylamino)propanoate · Ethyl 3-(Benzylamino)propionate · N-Benzyl-beta-alanine Ethyl Ester · MFCD00085541 · 3-Benzylaminopropionic acid ethyl ester · 3-Benzylamino-propionic acid ethyl ester · ETHYL N-BENZYL-3-AMINOPROPIONATE · beta-Alanine, N-(phenylmethyl)-, ethyl ester · EINECS 245-759-0
Data sources
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